3-[(4-methoxyphenyl)methyl]-5-methyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-5-methyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-5-methyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one CAS Name: 3-[(4-methoxyphenyl)methyl]-5-methyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 3-[(4-methoxyphenyl)methyl]-5-methyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Traditional Name: 5-methyl-1-(4-nitrophenyl)-3-p-anisyl-1,3,4-benzotriazepin-2-one Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N(C2=CC=CC=C12)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NN(C(=O)N(C2=CC=CC=C12)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H20N4O4/c1-16-21-5-3-4-6-22(21)26(18-9-11-19(12-10-18)27(29)30)23(28)25(24-16)15-17-7-13-20(31-2)14-8-17/h3-14H,15H2,1-2H3