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

Systemtic Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[1-cyclohexenyl(cyclopropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-keto-ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(C2CC2)C(=O)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)N(C2CC2)C(=O)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c26-21(24(18-9-10-18)17-6-2-1-3-7-17)15-30-22(27)16-8-11-19(20(14-16)25(28)29)23-12-4-5-13-23/h6,8,11,14,18H,1-5,7,9-10,12-13,15H2