[2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-keto-2-[(2-keto-2-methoxy-ethyl)amino]ethyl] ester Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O7/c1-25-15(21)9-17-14(20)10-26-16(22)12-8-11(19(23)24)4-5-13(12)18-6-2-3-7-18/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,17,20)