2-(furan-2-ylmethylamino)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(2-furylmethylamino)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(2-furanylmethylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(2-furfurylamino)-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6/c1-10-4-5-12(14(7-10)19(23)24)18-15(20)8-13(16(21)22)17-9-11-3-2-6-25-11/h2-7,13,17H,8-9H2,1H3,(H,18,20)(H,21,22)