[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O5/c1-13(18(23)21-11-10-14-6-4-3-5-7-14)27-19(24)15-8-9-16(20-2)17(12-15)22(25)26/h6,8-9,12-13,20H,3-5,7,10-11H2,1-2H3,(H,21,23)