2-(furan-2-ylmethylamino)-4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(2-furylmethylamino)-4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(2-furanylmethylamino)-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(2-furfurylamino)-4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid Formula: C16H17N3O7 MolecularWeight: 363.32208

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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)NCC2=CC=CO2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCC2=CC=CO2

InChI

InChI=1S/C16H17N3O7/c1-25-14-5-4-10(19(23)24)7-12(14)18-15(20)8-13(16(21)22)17-9-11-3-2-6-26-11/h2-7,13,17H,8-9H2,1H3,(H,18,20)(H,21,22)