(E)-3-[2-(azepan-1-yl)-5-nitro-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[2-(azepan-1-yl)-5-nitro-phenyl]prop-2-enoate Openeye Name: (E)-3-[2-(azepan-1-yl)-5-nitro-phenyl]prop-2-enoate CAS Name: (E)-3-[2-(1-azepanyl)-5-nitrophenyl]-2-propenoate IUPAC Name: (E)-3-[2-(azepan-1-yl)-5-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[2-(azepan-1-yl)-5-nitro-phenyl]acrylate Formula: C15H17N2O4- MolecularWeight: 289.30648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=CC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=C/C(=O)[O-]

InChI

InChI=1S/C15H18N2O4/c18-15(19)8-5-12-11-13(17(20)21)6-7-14(12)16-9-3-1-2-4-10-16/h5-8,11H,1-4,9-10H2,(H,18,19)/p-1/b8-5+