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

Systemtic Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(4-chloro-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanyl)phenyl]-3-(4-chloro-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(4-chloro-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(4-chloro-3-nitro-phenyl)prop-2-en-1-one Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3/c22-19-11-5-16(15-20(19)24(26)27)6-12-21(25)17-7-9-18(10-8-17)23-13-3-1-2-4-14-23/h5-12,15H,1-4,13-14H2/b12-6+