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

Systemtic Name: [2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-[(4-methoxy-4-oxo-butyl)amino]-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-[(4-keto-4-methoxy-butyl)amino]ethyl] ester Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)COC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCNC(=O)COC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O7/c1-26-16(22)3-2-8-18-15(21)10-27-17(23)11-4-7-13(19-12-5-6-12)14(9-11)20(24)25/h4,7,9,12,19H,2-3,5-6,8,10H2,1H3,(H,18,21)