[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-(4-butoxycarbonylanilino)-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-butoxycarbonylanilino)-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-(4-butoxycarbonylanilino)-2-keto-ethyl] ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O8/c1-3-4-11-30-20(25)14-5-8-16(9-6-14)22-19(24)13-31-21(26)15-7-10-18(29-2)17(12-15)23(27)28/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)