2-[2-(isoquinolin-4-ylamino)-2-nitro-ethenyl]benzoic acid

Systemtic Name: 2-[2-(isoquinolin-4-ylamino)-2-nitro-ethenyl]benzoic acid Openeye Name: 2-[2-(4-isoquinolylamino)-2-nitro-vinyl]benzoic acid CAS Name: 2-[2-(4-isoquinolinylamino)-2-nitroethenyl]benzoic acid IUPAC Name: 2-[2-(isoquinolin-4-ylamino)-2-nitroethenyl]benzoic acid Traditional Name: 2-[2-(4-isoquinolylamino)-2-nitro-vinyl]benzoic acid Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2NC(=CC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2NC(=CC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4/c22-18(23)15-8-4-1-5-12(15)9-17(21(24)25)20-16-11-19-10-13-6-2-3-7-14(13)16/h1-11,20H,(H,22,23)