(E)-1-[4-(azepan-1-yl)phenyl]-3-(3-nitro-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(3-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(4-hydroxy-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanyl)phenyl]-3-(4-hydroxy-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(4-hydroxy-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(4-hydroxy-3-nitro-phenyl)prop-2-en-1-one Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O4/c24-20(11-5-16-6-12-21(25)19(15-16)23(26)27)17-7-9-18(10-8-17)22-13-3-1-2-4-14-22/h5-12,15,25H,1-4,13-14H2/b11-5+