2-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]carbonylbenzoic acid

Systemtic Name: 2-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]carbonylbenzoic acid Openeye Name: 2-[3-nitro-4-(3-pyridylmethylamino)benzoyl]benzoic acid CAS Name: 2-[[3-nitro-4-(3-pyridinylmethylamino)phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[3-nitro-4-(pyridin-3-ylmethylamino)benzoyl]benzoic acid Traditional Name: 2-[3-nitro-4-(3-pyridylmethylamino)benzoyl]benzoic acid Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H15N3O5/c24-19(15-5-1-2-6-16(15)20(25)26)14-7-8-17(18(10-14)23(27)28)22-12-13-4-3-9-21-11-13/h1-11,22H,12H2,(H,25,26)