methyl 2-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]isoquinoline-4-carboxylic acid methyl ester Formula: C19H14F3N3O5 MolecularWeight: 421.32677

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])N2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CN(C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])N2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C19H14F3N3O5/c1-23(15-8-7-11(19(20,21)22)9-16(15)25(28)29)24-10-14(18(27)30-2)12-5-3-4-6-13(12)17(24)26/h3-10H,1-2H3