2-[1-[6-[(3-nitrophenyl)amino]pyrazin-2-yl]pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[6-[(3-nitrophenyl)amino]pyrazin-2-yl]pyrrol-3-yl]ethanoic acid Openeye Name: 2-[1-[6-(3-nitroanilino)pyrazin-2-yl]pyrrol-3-yl]acetic acid CAS Name: 2-[1-[6-(3-nitroanilino)-2-pyrazinyl]-3-pyrrolyl]acetic acid IUPAC Name: 2-[1-[6-(3-nitroanilino)pyrazin-2-yl]pyrrol-3-yl]acetic acid Traditional Name: 2-[1-[6-(3-nitroanilino)pyrazin-2-yl]pyrrol-3-yl]acetic acid Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC(=CN=C2)N3C=CC(=C3)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC(=CN=C2)N3C=CC(=C3)CC(=O)O

InChI

InChI=1S/C16H13N5O4/c22-16(23)6-11-4-5-20(10-11)15-9-17-8-14(19-15)18-12-2-1-3-13(7-12)21(24)25/h1-5,7-10H,6H2,(H,18,19)(H,22,23)