[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(cyclohexylcarbonylamino)ethanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(cyclohexylcarbonylamino)ethanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-(cyclohexanecarbonylamino)acetate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]acetic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(cyclohexanecarbonylamino)acetate Traditional Name: 2-(cyclohexanecarbonylamino)acetic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CNC(=O)C2CCCCC2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CNC(=O)C2CCCCC2

InChI

InChI=1S/C18H23N3O6/c1-12(17(23)20-14-8-5-9-15(10-14)21(25)26)27-16(22)11-19-18(24)13-6-3-2-4-7-13/h5,8-10,12-13H,2-4,6-7,11H2,1H3,(H,19,24)(H,20,23)