methyl 1-[(2-methoxy-5-nitro-phenyl)amino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-[(2-methoxy-5-nitro-phenyl)amino]isoquinoline-4-carboxylate Openeye Name: methyl 1-(2-methoxy-5-nitro-anilino)isoquinoline-4-carboxylate CAS Name: 1-(2-methoxy-5-nitroanilino)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methoxy-5-nitroanilino)isoquinoline-4-carboxylate Traditional Name: 1-(2-methoxy-5-nitro-anilino)isoquinoline-4-carboxylic acid methyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC=C(C3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC=C(C3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C18H15N3O5/c1-25-16-8-7-11(21(23)24)9-15(16)20-17-13-6-4-3-5-12(13)14(10-19-17)18(22)26-2/h3-10H,1-2H3,(H,19,20)