butyl 2-[(4-ethanoylphenyl)carbamoyl]-3-nitro-benzoate

Systemtic Name: butyl 2-[(4-ethanoylphenyl)carbamoyl]-3-nitro-benzoate Openeye Name: butyl 2-[(4-acetylphenyl)carbamoyl]-3-nitro-benzoate CAS Name: 2-[(4-acetylanilino)-oxomethyl]-3-nitrobenzoic acid butyl ester IUPAC Name: butyl 2-[(4-acetylphenyl)carbamoyl]-3-nitrobenzoate Traditional Name: 2-[(4-acetylphenyl)carbamoyl]-3-nitro-benzoic acid butyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCCCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H20N2O6/c1-3-4-12-28-20(25)16-6-5-7-17(22(26)27)18(16)19(24)21-15-10-8-14(9-11-15)13(2)23/h5-11H,3-4,12H2,1-2H3,(H,21,24)