ethyl (E)-3-[4-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]phenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]phenyl]-2-cyano-acrylic acid ethyl ester Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C25H26N4O5/c1-2-34-25(31)20(17-26)15-18-7-10-21(11-8-18)27-24(30)19-9-12-22(23(16-19)29(32)33)28-13-5-3-4-6-14-28/h7-12,15-16H,2-6,13-14H2,1H3,(H,27,30)/b20-15+