4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(prop-2-enylamino)butanoic acid

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(prop-2-enylamino)butanoic acid Openeye Name: 2-(allylamino)-4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid Traditional Name: 2-(allylamino)-4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCC=C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCC=C

InChI

InChI=1S/C14H17N3O6/c1-3-6-15-11(14(19)20)8-13(18)16-10-7-9(17(21)22)4-5-12(10)23-2/h3-5,7,11,15H,1,6,8H2,2H3,(H,16,18)(H,19,20)