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

Systemtic Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[1-cyclohexenyl(cyclopropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c19-15-9-6-12(10-16(15)21(24)25)18(23)26-11-17(22)20(14-7-8-14)13-4-2-1-3-5-13/h4,6,9-10,14H,1-3,5,7-8,11,19H2