tert-butyl (3E)-5-nitro-3-pyrrol-2-ylidene-2H-indazole-1-carboxylate

Systemtic Name: tert-butyl (3E)-5-nitro-3-pyrrol-2-ylidene-2H-indazole-1-carboxylate Openeye Name: tert-butyl (3E)-5-nitro-3-pyrrol-2-ylidene-2H-indazole-1-carboxylate CAS Name: (3E)-5-nitro-3-(2-pyrrolylidene)-2H-indazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3E)-5-nitro-3-pyrrol-2-ylidene-2H-indazole-1-carboxylate Traditional Name: (3E)-5-nitro-3-pyrrol-2-ylidene-indazoline-1-carboxylic acid tert-butyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C3C=CC=N3)N1

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])/C(=C\3/C=CC=N3)/N1

InChI

InChI=1S/C16H16N4O4/c1-16(2,3)24-15(21)19-13-7-6-10(20(22)23)9-11(13)14(18-19)12-5-4-8-17-12/h4-9,18H,1-3H3/b14-12+