methyl N-[2-nitro-4-[(E)-3-pyridin-4-ylprop-2-enoyl]phenyl]carbamate

Systemtic Name: methyl N-[2-nitro-4-[(E)-3-pyridin-4-ylprop-2-enoyl]phenyl]carbamate Openeye Name: methyl N-[2-nitro-4-[(E)-3-(4-pyridyl)prop-2-enoyl]phenyl]carbamate CAS Name: N-[2-nitro-4-[(E)-1-oxo-3-pyridin-4-ylprop-2-enyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-nitro-4-[(E)-3-pyridin-4-ylprop-2-enoyl]phenyl]carbamate Traditional Name: N-[2-nitro-4-[(E)-3-(4-pyridyl)acryloyl]phenyl]carbamic acid methyl ester Formula: C16H13N3O5 MolecularWeight: 327.29152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=C(C=C1)C(=O)C=CC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5/c1-24-16(21)18-13-4-3-12(10-14(13)19(22)23)15(20)5-2-11-6-8-17-9-7-11/h2-10H,1H3,(H,18,21)/b5-2+