methyl 3-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-methyl-1,3-dioxo-isoindolin-5-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-methyl-1,3-dioxo-5-isoindolyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(1,3-diketo-2-methyl-isoindolin-5-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H13N3O7/c1-20-16(23)13-4-3-11(8-14(13)17(20)24)19-15(22)9-5-10(18(25)28-2)7-12(6-9)21(26)27/h3-8H,1-2H3,(H,19,22)