(2R)-2-(ethylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(ethylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(ethylammonio)-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(ethylammonio)-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(ethylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(ethylammonio)-4-keto-4-(3-nitroanilino)butyrate Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]C(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC[NH2+][C@H](CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-2-13-10(12(17)18)7-11(16)14-8-4-3-5-9(6-8)15(19)20/h3-6,10,13H,2,7H2,1H3,(H,14,16)(H,17,18)/t10-/m1/s1