ethyl 7-methyl-4-oxidanylidene-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carboxylate

Systemtic Name: ethyl 7-methyl-4-oxidanylidene-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carboxylate Openeye Name: ethyl 7-methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carboxylate CAS Name: 7-methyl-4-oxo-3,6-diphenyl-8-pyrrolo[2,1-d][1,2,3,5]tetrazinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-methyl-4-oxo-3,6-diphenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carboxylate Traditional Name: 4-keto-7-methyl-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carboxylic acid ethyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=NN(C(=O)N2C(=C1C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2N=NN(C(=O)N2C(=C1C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3/c1-3-28-20(26)17-14(2)18(15-10-6-4-7-11-15)24-19(17)22-23-25(21(24)27)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3