Ethyl 2-(4-methoxybenzoyl)-3-(1,3-benzodioxol-5-yl)-4-nitro-butanoate

HCID 10811775

기본 정보

표준 SMILES
CCOC(=O)C(C(=O)c1ccc(OC)cc1)C(C[N+](=O)[O-])c1ccc2c(c1)OCO2
InChIKey
QPSKREVTKUBJMA-UHFFFAOYSA-N
분자식
C21H21NO8
평균 분자량
415.4 g/mol

이름 및 식별자

우선 이름
Ethyl 2-(4-methoxybenzoyl)-3-(1,3-benzodioxol-5-yl)-4-nitro-butanoate
IUPAC
ethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxybenzoyl)-4-nitrobutanoate

이름 및 동의어

173864-45-4Ethyl 2-(4-methoxybenzoyl)-3-(1,3-benzodioxol-5-yl)-4-nitro-butanoateEthyl 2-(4-methoxybenzoyl)-3-(3,4-methylenedioxy-phenyl)-4-nitro-butanoate1,3-Benzodioxole-5-propanoic acid, alpha-(4-methoxybenzoyl)-beta-(nitromethyl)-, ethyl esterSCHEMBL4998200QPSKREVTKUBJMA-UHFFFAOYSA-NDB-334059Ethyl 2-(4-Methoxybenzoyl)-3-(1,3-benzodioxol-5-yl)-4-nitrobutanoateEthyl 2-(4-methoxybenzoyl)-3-(3.4-methylenedioxy-phenyl)-4-nitro-butanoateethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxybenzoyl)-4-nitrobutanoate1,3-Benzodioxole-5-propanoic acid, -(4-methoxybenzoyl)--(nitromethyl)-, ethyl ester

데이터베이스 식별자

PubChem CID
10811775

물성

구조 계산 물성

XLogP
3.4
극성 표면적
117 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
9
무거운 원자 수
30

관련 반응

10건

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