butyl 2-(4-azanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: butyl 2-(4-azanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: butyl 2-(4-amino-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-amino-3-nitrophenyl)-oxomethyl]benzoic acid butyl ester IUPAC Name: butyl 2-(4-amino-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-amino-3-nitro-benzoyl)benzoic acid butyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-2-3-10-25-18(22)14-7-5-4-6-13(14)17(21)12-8-9-15(19)16(11-12)20(23)24/h4-9,11H,2-3,10,19H2,1H3