[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(furan-2-ylmethylamino)benzoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(furan-2-ylmethylamino)benzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2-(2-furylmethylamino)benzoate CAS Name: 2-(2-furanylmethylamino)benzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate Traditional Name: 2-(2-furfurylamino)benzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2NCC3=CC=CO3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2NCC3=CC=CO3

InChI

InChI=1S/C21H19N3O6/c1-14(20(25)23-15-8-10-16(11-9-15)24(27)28)30-21(26)18-6-2-3-7-19(18)22-13-17-5-4-12-29-17/h2-12,14,22H,13H2,1H3,(H,23,25)