(2R)-2-(2-azanylethylamino)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-2-(2-azanylethylamino)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(2-aminoethylamino)-4-(3-nitroanilino)-4-oxo-butanoic acid CAS Name: (2R)-2-(2-aminoethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(2-aminoethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(2-aminoethylamino)-4-keto-4-(3-nitroanilino)butyric acid Formula: C12H16N4O5 MolecularWeight: 296.27924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O5/c13-4-5-14-10(12(18)19)7-11(17)15-8-2-1-3-9(6-8)16(20)21/h1-3,6,10,14H,4-5,7,13H2,(H,15,17)(H,18,19)/t10-/m1/s1