4-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)-3-nitro-benzamide

Systemtic Name: 4-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)-3-nitro-benzamide Openeye Name: 4-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)-3-nitro-benzamide CAS Name: 4-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)-3-nitro-benzamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1C)NC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-14-6-4-9-19(15(14)2)24-20-11-10-16(12-21(20)25(27)28)22(26)23-17-7-5-8-18(13-17)29-3/h5,7-8,10-15,19,24H,4,6,9H2,1-3H3,(H,23,26)