(2R)-2-azaniumyl-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-azaniumyl-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-azaniumyl-4-(4-ethoxy-2-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-ammonio-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-azaniumyl-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-ammonio-4-(4-ethoxy-2-nitro-anilino)-4-keto-butyrate Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CC(C(=O)[O-])[NH3+])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6/c1-2-21-7-3-4-9(10(5-7)15(19)20)14-11(16)6-8(13)12(17)18/h3-5,8H,2,6,13H2,1H3,(H,14,16)(H,17,18)/t8-/m1/s1