[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(aminocarbonylamino)-4-methyl-pentanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(aminocarbonylamino)-4-methyl-pentanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 4-methyl-2-ureido-pentanoate CAS Name: 2-(carbamoylamino)-4-methylpentanoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate Traditional Name: 4-methyl-2-ureido-valeric acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C15H19ClN4O6 MolecularWeight: 386.78756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])NC(=O)N

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])NC(=O)N

InChI

InChI=1S/C15H19ClN4O6/c1-8(2)5-11(19-15(17)23)14(22)26-7-13(21)18-9-3-4-10(16)12(6-9)20(24)25/h3-4,6,8,11H,5,7H2,1-2H3,(H,18,21)(H3,17,19,23)