ethyl 1-[(E)-(3-nitrophenyl)methylideneamino]-5-oxidanylidene-2H-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-[(E)-(3-nitrophenyl)methylideneamino]-5-oxidanylidene-2H-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[(E)-(3-nitrophenyl)methyleneamino]-5-oxo-2H-triazole-4-carboxylate CAS Name: 1-[(E)-(3-nitrophenyl)methylideneamino]-5-oxo-2H-triazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-(3-nitrophenyl)methylideneamino]-5-oxo-2H-triazole-4-carboxylate Traditional Name: 5-keto-1-[(E)-(3-nitrobenzylidene)amino]-2H-triazole-4-carboxylic acid ethyl ester Formula: C12H11N5O5 MolecularWeight: 305.24624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNN(C1=O)N=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NNN(C1=O)/N=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O5/c1-2-22-12(19)10-11(18)16(15-14-10)13-7-8-4-3-5-9(6-8)17(20)21/h3-7,15H,2H2,1H3/b13-7+