(3S)-3-(furan-2-ylmethylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-3-(2-furylmethylammonio)-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (3S)-3-(2-furanylmethylammonio)-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (3S)-3-(2-furfurylammonio)-4-keto-4-(3-nitroanilino)butyrate Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)[C@H](CC(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C15H15N3O6/c19-14(20)8-13(16-9-12-5-2-6-24-12)15(21)17-10-3-1-4-11(7-10)18(22)23/h1-7,13,16H,8-9H2,(H,17,21)(H,19,20)/t13-/m0/s1