[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5/c24-19(21-11-10-14-4-2-1-3-5-14)13-28-20(25)15-6-9-17(22-16-7-8-16)18(12-15)23(26)27/h4,6,9,12,16,22H,1-3,5,7-8,10-11,13H2,(H,21,24)