[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O6/c1-13-2-6-15(7-3-13)21-17(23)12-28-18(24)10-11-20-19(25)14-4-8-16(9-5-14)22(26)27/h4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3,(H,20,25)(H,21,23)