[4-(azepan-1-yl)-3-nitro-phenyl]-(azetidin-1-yl)methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(azetidin-1-yl)methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(azetidin-1-yl)methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-(1-azetidinyl)methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-(azetidin-1-yl)methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(azetidin-1-yl)methanone Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O3/c20-16(18-10-5-11-18)13-6-7-14(15(12-13)19(21)22)17-8-3-1-2-4-9-17/h6-7,12H,1-5,8-11H2