methyl (E)-3-[2-nitro-5-[4-(propanoylamino)piperidin-1-yl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[2-nitro-5-[4-(propanoylamino)piperidin-1-yl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[2-nitro-5-[4-(propanoylamino)-1-piperidyl]phenyl]prop-2-enoate CAS Name: (E)-3-[2-nitro-5-[4-(1-oxopropylamino)-1-piperidinyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-nitro-5-[4-(propanoylamino)piperidin-1-yl]phenyl]prop-2-enoate Traditional Name: (E)-3-[2-nitro-5-(4-propionamidopiperidino)phenyl]acrylic acid methyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C=CC(=O)OC

Isomeric SMILES

CCC(=O)NC1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])/C=C/C(=O)OC

InChI

InChI=1S/C18H23N3O5/c1-3-17(22)19-14-8-10-20(11-9-14)15-5-6-16(21(24)25)13(12-15)4-7-18(23)26-2/h4-7,12,14H,3,8-11H2,1-2H3,(H,19,22)/b7-4+