ethyl 9-methyl-4-(4-nitrophenyl)-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate

Systemtic Name: ethyl 9-methyl-4-(4-nitrophenyl)-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate Openeye Name: ethyl 9-methyl-4-(4-nitrophenyl)-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate CAS Name: 9-methyl-4-(4-nitrophenyl)-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 9-methyl-4-(4-nitrophenyl)-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate Traditional Name: 9-methyl-4-(4-nitrophenyl)-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylic acid ethyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(CN(N1)C3=CC=C(C=C3)[N+](=O)[O-])C=CC=C2C

Isomeric SMILES

CCOC(=O)C1=NC2=C(CN(N1)C3=CC=C(C=C3)[N+](=O)[O-])C=CC=C2C

InChI

InChI=1S/C18H18N4O4/c1-3-26-18(23)17-19-16-12(2)5-4-6-13(16)11-21(20-17)14-7-9-15(10-8-14)22(24)25/h4-10H,3,11H2,1-2H3,(H,19,20)