5-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-aniline

Systemtic Name: 5-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-aniline Openeye Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-aniline CAS Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline IUPAC Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline Traditional Name: (5-chloro-2-nitro-phenyl)-homoveratryl-amine Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C16H17ClN2O4/c1-22-15-6-3-11(9-16(15)23-2)7-8-18-13-10-12(17)4-5-14(13)19(20)21/h3-6,9-10,18H,7-8H2,1-2H3