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

Systemtic Name: 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-2-(prop-2-enylamino)butanoic acid Openeye Name: 2-(allylamino)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(4-methyl-2-nitroanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid IUPAC Name: 4-(4-methyl-2-nitroanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid Traditional Name: 2-(allylamino)-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5/c1-3-6-15-11(14(19)20)8-13(18)16-10-5-4-9(2)7-12(10)17(21)22/h3-5,7,11,15H,1,6,8H2,2H3,(H,16,18)(H,19,20)