4-[[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]methyl]benzoic acid Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H13N3O7/c22-15(19-8-10-1-3-11(4-2-10)18(25)26)9-20-16(23)13-6-5-12(21(27)28)7-14(13)17(20)24/h1-7H,8-9H2,(H,19,22)(H,25,26)