[[4-(pyridin-4-ylcarbonyldiazenyl)phenyl]amino] 3-nitrobenzoate

Systemtic Name: [[4-(pyridin-4-ylcarbonyldiazenyl)phenyl]amino] 3-nitrobenzoate Openeye Name: [4-(pyridine-4-carbonylazo)anilino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[oxo(pyridin-4-yl)methyl]azoanilino] ester IUPAC Name: [4-(pyridine-4-carbonyldiazenyl)anilino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-isonicotinoylazoanilino) ester Formula: C19H13N5O5 MolecularWeight: 391.33702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C19H13N5O5/c25-18(13-8-10-20-11-9-13)22-21-15-4-6-16(7-5-15)23-29-19(26)14-2-1-3-17(12-14)24(27)28/h1-12,23H