[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxy-3-methoxy-benzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxy-3-methoxy-benzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 4-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-3-methoxy-benzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O7/c1-4-5-12-29-18-11-10-15(13-19(18)28-3)21(25)30-14(2)20(24)22-16-8-6-7-9-17(16)23(26)27/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,24)