[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methyl-pentanoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methyl-pentanoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] (2S)-4-methyl-2-ureido-pentanoate CAS Name: (2S)-2-(carbamoylamino)-4-methylpentanoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate Traditional Name: (2S)-4-methyl-2-ureido-valeric acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C16H22N4O7 MolecularWeight: 382.36848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)NC(=O)N

InChI

InChI=1S/C16H22N4O7/c1-9(2)6-12(19-16(17)23)15(22)27-8-14(21)18-11-5-4-10(20(24)25)7-13(11)26-3/h4-5,7,9,12H,6,8H2,1-3H3,(H,18,21)(H3,17,19,23)/t12-/m0/s1