3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-homoveratryl-propionamide Formula: C16H19BrN4O5 MolecularWeight: 427.24986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C16H19BrN4O5/c1-25-13-4-3-11(9-14(13)26-2)5-7-18-15(22)6-8-20-10-12(17)16(19-20)21(23)24/h3-4,9-10H,5-8H2,1-2H3,(H,18,22)