[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5/c1-2-3-6-14-9-11-15(12-10-14)20-18(22)13-26-19(23)16-7-4-5-8-17(16)21(24)25/h4-5,7-12H,2-3,6,13H2,1H3,(H,20,22)