ethyl (2S)-2-[N'-ethanoyl-N-[(2-nitrophenyl)amino]carbamimidoyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2S)-2-[N'-ethanoyl-N-[(2-nitrophenyl)amino]carbamimidoyl]-3-oxidanylidene-butanoate Openeye Name: ethyl (2S)-2-[N'-acetyl-N-(2-nitroanilino)carbamimidoyl]-3-oxo-butanoate CAS Name: (2S)-2-[acetylimino-[(2-nitrophenyl)hydrazo]methyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[N'-acetyl-N-(2-nitroanilino)carbamimidoyl]-3-oxobutanoate Traditional Name: (2S)-2-[N'-acetyl-N-(2-nitroanilino)amidino]-3-keto-butyric acid ethyl ester Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)C(=NC(=O)C)NNC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C(=O)C)C(=NC(=O)C)NNC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O6/c1-4-25-15(22)13(9(2)20)14(16-10(3)21)18-17-11-7-5-6-8-12(11)19(23)24/h5-8,13,17H,4H2,1-3H3,(H,16,18,21)/t13-/m1/s1