[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

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