methyl 4-methyl-2-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]quinoline-3-carboxylate Traditional Name: 2-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H15N3O6/c1-11-13-5-3-4-6-16(13)22-17(18(11)21(27)30-2)10-23-19(25)14-8-7-12(24(28)29)9-15(14)20(23)26/h3-9H,10H2,1-2H3