(E)-3-[4-(azepan-1-yl)-3-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(azepan-1-yl)-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(azepan-1-yl)-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(1-azepanyl)-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(azepan-1-yl)-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(azepan-1-yl)-3-nitro-phenyl]acrylic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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