1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione

Systemtic Name: 1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione Openeye Name: 1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-dione CAS Name: 1-[4-(1-azepanyl)-3-nitrophenyl]-3-methylpyrrolidine-2,5-dione IUPAC Name: 1-[4-(azepan-1-yl)-3-nitrophenyl]-3-methylpyrrolidine-2,5-dione Traditional Name: 1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-methyl-pyrrolidine-2,5-quinone Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)N(C1=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4/c1-12-10-16(21)19(17(12)22)13-6-7-14(15(11-13)20(23)24)18-8-4-2-3-5-9-18/h6-7,11-12H,2-5,8-10H2,1H3