(2R)-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(4-ethoxy-2-nitroanilino)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(4-ethoxy-2-nitroanilino)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-4-keto-2-(3-pyridylmethylammonio)butyrate Formula: C18H20N4O6 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6/c1-2-28-13-5-6-14(16(8-13)22(26)27)21-17(23)9-15(18(24)25)20-11-12-4-3-7-19-10-12/h3-8,10,15,20H,2,9,11H2,1H3,(H,21,23)(H,24,25)/t15-/m1/s1