N,N-dimethyl-2-[4-[4-(3-nitrophenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethanamine

Systemtic Name: N,N-dimethyl-2-[4-[4-(3-nitrophenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethanamine Openeye Name: N,N-dimethyl-2-[4-[4-(3-nitrophenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethanamine CAS Name: N,N-dimethyl-2-[4-[4-(3-nitrophenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethanamine IUPAC Name: N,N-dimethyl-2-[4-[4-(3-nitrophenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethanamine Traditional Name: dimethyl-[2-[4-[4-(3-nitrophenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]ethyl]amine Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)C2=C(CCOC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)C2=C(CCOC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N2O4/c1-27(2)15-17-31-22-12-10-19(11-13-22)26-23(20-6-5-7-21(18-20)28(29)30)14-16-32-25-9-4-3-8-24(25)26/h3-13,18H,14-17H2,1-2H3