N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]-3-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]-3-oxidanyl-naphthalene-2-carboxamide Openeye Name: 3-hydroxy-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]naphthalene-2-carboxamide CAS Name: 3-hydroxy-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]-2-naphthalenecarboxamide IUPAC Name: 3-hydroxy-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]naphthalene-2-carboxamide Traditional Name: 3-hydroxy-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]-2-naphthamide Formula: C16H14N6O4 MolecularWeight: 354.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC2=CC=CC=C2C=C1O)/CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O4/c1-10(8-21-9-17-16(20-21)22(25)26)18-19-15(24)13-6-11-4-2-3-5-12(11)7-14(13)23/h2-7,9,23H,8H2,1H3,(H,19,24)/b18-10+