N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OCC

InChI

InChI=1S/C23H27N5O5/c1-5-32-20-10-8-16(12-21(20)33-6-2)22(15(3)4)26-23(29)17-7-9-18(19(11-17)28(30)31)27-14-24-13-25-27/h7-15,22H,5-6H2,1-4H3,(H,26,29)