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

Systemtic Name: methyl 4-methyl-2-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[(4-nitro-1,3-dioxo-2-isoindolyl)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-nitro-1,3-dioxoisoindol-2-yl)methyl]quinoline-3-carboxylate Traditional Name: 2-[(1,3-diketo-4-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(=CC=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

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