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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-azanyl-3-nitro-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid 2-phthalimidoethyl ester Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c18-13-6-5-10(9-14(13)20(24)25)17(23)26-8-7-19-15(21)11-3-1-2-4-12(11)16(19)22/h1-6,9H,7-8,18H2