sodium (2S)-2-[[(Z)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-but-2-en-2-yl]amino]-2-phenyl-ethanoate

Systemtic Name: sodium (2S)-2-[[(Z)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-but-2-en-2-yl]amino]-2-phenyl-ethanoate Openeye Name: sodium (2S)-2-[[(Z)-1-methyl-3-(4-nitroanilino)-3-oxo-prop-1-enyl]amino]-2-phenyl-acetate CAS Name: sodium (2S)-2-[[(Z)-4-(4-nitroanilino)-4-oxobut-2-en-2-yl]amino]-2-phenylacetate IUPAC Name: sodium (2S)-2-[[(Z)-4-(4-nitroanilino)-4-oxobut-2-en-2-yl]amino]-2-phenylacetate Traditional Name: sodium (2S)-2-[[(Z)-3-keto-1-methyl-3-(4-nitroanilino)prop-1-enyl]amino]-2-phenyl-acetate Formula: C18H16N3NaO5 MolecularWeight: 377.32651

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(C2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

C/C(=C/C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])/N[C@@H](C2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H17N3O5.Na/c1-12(19-17(18(23)24)13-5-3-2-4-6-13)11-16(22)20-14-7-9-15(10-8-14)21(25)26;/h2-11,17,19H,1H3,(H,20,22)(H,23,24);/q;+1/p-1/b12-11-;/t17-;/m0./s1