N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-homoveratryl-4-methyl-3,5-dinitro-benzamide Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7/c1-11-14(20(23)24)9-13(10-15(11)21(25)26)18(22)19-7-6-12-4-5-16(27-2)17(8-12)28-3/h4-5,8-10H,6-7H2,1-3H3,(H,19,22)