[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)propanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)propanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] (2R)-2-ureidopropanoate CAS Name: (2R)-2-(carbamoylamino)propanoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] (2R)-2-(carbamoylamino)propanoate Traditional Name: (2R)-2-ureidopropionic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C14H18N4O6 MolecularWeight: 338.31592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C(C)NC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)[C@@H](C)NC(=O)N

InChI

InChI=1S/C14H18N4O6/c1-7-4-10(11(18(22)23)5-8(7)2)17-12(19)6-24-13(20)9(3)16-14(15)21/h4-5,9H,6H2,1-3H3,(H,17,19)(H3,15,16,21)/t9-/m1/s1