[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] (3S)-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-furanylmethyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-furfuryl)-5-keto-pyrrolidine-3-carboxylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7/c1-12-4-5-14(8-16(12)22(26)27)20-17(23)11-29-19(25)13-7-18(24)21(9-13)10-15-3-2-6-28-15/h2-6,8,13H,7,9-11H2,1H3,(H,20,23)/t13-/m0/s1