4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid

HCID 308680

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 7377-15-3
Standard SMILES: CC(=O)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)O)cc1
InChIKey: KHEBBJPFZXQRFT-UHFFFAOYSA-N
Molecular formula: C16H14N2O5
Average molar mass: 314.29 g/mol
Monoisotopic mass: 314.09027155

Names & identifiers

Preferred name: 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid
IUPAC: 4-[acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid

Names & synonyms

7377-15-3NSC 2105494-[acetyl-[(3-nitrophenyl)methyl]amino]benzoic acidNSC210549DTXSID00308992NSC-2105494-{N-[(3-Nitrophenyl)methyl]acetamido}benzoic acid

Database identifiers

CAS: 7377-15-3
PubChem CID: 308680
DTXSID: DTXSID00308992

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 103 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 454

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…