2-(isoquinolin-5-ylamino)-3-nitro-benzoic acid

Systemtic Name: 2-(isoquinolin-5-ylamino)-3-nitro-benzoic acid Openeye Name: 2-(5-isoquinolylamino)-3-nitro-benzoic acid CAS Name: 2-(5-isoquinolinylamino)-3-nitrobenzoic acid IUPAC Name: 2-(isoquinolin-5-ylamino)-3-nitrobenzoic acid Traditional Name: 2-(5-isoquinolylamino)-3-nitro-benzoic acid Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H11N3O4/c20-16(21)12-4-2-6-14(19(22)23)15(12)18-13-5-1-3-10-9-17-8-7-11(10)13/h1-9,18H,(H,20,21)