N-(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]-2-morpholino-5-nitro-benzamide Formula: C28H24N6O4 MolecularWeight: 508.52796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C28H24N6O4/c1-18-15-24-25(31-33(30-24)27-8-4-6-19-5-2-3-7-21(19)27)17-23(18)29-28(35)22-16-20(34(36)37)9-10-26(22)32-11-13-38-14-12-32/h2-10,15-17H,11-14H2,1H3,(H,29,35)