6-nitro-2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-N-pyrazol-1-yl-quinoline-3-carboxamide

Systemtic Name: 6-nitro-2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-N-pyrazol-1-yl-quinoline-3-carboxamide Openeye Name: 1-allyl-2-hydroxy-6-nitro-4-oxo-N-pyrazol-1-yl-quinoline-3-carboxamide CAS Name: 2-hydroxy-6-nitro-4-oxo-1-prop-2-enyl-N-(1-pyrazolyl)-3-quinolinecarboxamide IUPAC Name: 2-hydroxy-6-nitro-4-oxo-1-prop-2-enyl-N-pyrazol-1-ylquinoline-3-carboxamide Traditional Name: 1-allyl-2-hydroxy-4-keto-6-nitro-N-pyrazol-1-yl-quinoline-3-carboxamide Formula: C16H13N5O5 MolecularWeight: 355.30492

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C(=C1O)C(=O)NN3C=CC=N3

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C(=C1O)C(=O)NN3C=CC=N3

InChI

InChI=1S/C16H13N5O5/c1-2-7-19-12-5-4-10(21(25)26)9-11(12)14(22)13(16(19)24)15(23)18-20-8-3-6-17-20/h2-6,8-9,24H,1,7H2,(H,18,23)