ethyl 4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]carbamoyl]benzoate

Systemtic Name: ethyl 4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]carbamoyl]benzoate Openeye Name: ethyl 4-[(5-nitro-1,3-dioxo-isoindolin-2-yl)carbamoyl]benzoate CAS Name: 4-[[(5-nitro-1,3-dioxo-2-isoindolyl)amino]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-nitro-1,3-dioxoisoindol-2-yl)carbamoyl]benzoate Traditional Name: 4-[(1,3-diketo-5-nitro-isoindolin-2-yl)carbamoyl]benzoic acid ethyl ester Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O7/c1-2-28-18(25)11-5-3-10(4-6-11)15(22)19-20-16(23)13-8-7-12(21(26)27)9-14(13)17(20)24/h3-9H,2H2,1H3,(H,19,22)