N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-nitro-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-nitro-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[(E)-[4-(diethylamino)phenyl]methyleneamino]-3-nitro-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-nitro-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-nitro-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[(E)-[4-(diethylamino)benzylidene]amino]-3-nitro-1H-1,2,4-triazole-5-carboxamide Formula: C14H17N7O3 MolecularWeight: 331.32988

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=NC(=NN2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)C2=NC(=NN2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N7O3/c1-3-20(4-2)11-7-5-10(6-8-11)9-15-18-13(22)12-16-14(19-17-12)21(23)24/h5-9H,3-4H2,1-2H3,(H,18,22)(H,16,17,19)/b15-9+