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

Systemtic Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-[[[(2-methylcyclohexyl)amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-[(2-methylcyclohexyl)carbamoylamino]ethyl] ester Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O6/c1-12-4-2-3-5-15(12)22-20(27)23-18(25)11-30-19(26)13-6-9-16(21-14-7-8-14)17(10-13)24(28)29/h6,9-10,12,14-15,21H,2-5,7-8,11H2,1H3,(H2,22,23,25,27)