[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 3-(furan-2-carbonylamino)-4-methyl-benzoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-4-methylbenzoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate Traditional Name: 3-(2-furoylamino)-4-methyl-benzoic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C23H21N3O7 MolecularWeight: 451.42874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-])NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-])NC(=O)C3=CC=CO3

InChI

InChI=1S/C23H21N3O7/c1-13-6-7-16(11-17(13)25-22(28)20-5-4-8-32-20)23(29)33-12-21(27)24-18-9-14(2)15(3)10-19(18)26(30)31/h4-11H,12H2,1-3H3,(H,24,27)(H,25,28)