[2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[(4-methoxy-4-oxo-butyl)amino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-[(4-keto-4-methoxy-butyl)amino]ethyl] ester Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCNC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O7/c1-27-17(23)5-4-8-19-16(22)12-28-18(24)13-6-7-14(15(11-13)21(25)26)20-9-2-3-10-20/h6-7,11H,2-5,8-10,12H2,1H3,(H,19,22)