4-(cyclopropylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-homoveratryl-3-nitro-benzamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O5/c1-27-18-8-3-13(11-19(18)28-2)9-10-21-20(24)14-4-7-16(22-15-5-6-15)17(12-14)23(25)26/h3-4,7-8,11-12,15,22H,5-6,9-10H2,1-2H3,(H,21,24)