2-(furan-2-ylmethylamino)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(2-furylmethylamino)-4-(3-nitroanilino)-4-oxo-butanoic acid CAS Name: 2-(2-furanylmethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-(3-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(2-furfurylamino)-4-keto-4-(3-nitroanilino)butyric acid Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O6/c19-14(17-10-3-1-4-11(7-10)18(22)23)8-13(15(20)21)16-9-12-5-2-6-24-12/h1-7,13,16H,8-9H2,(H,17,19)(H,20,21)