3-(azepan-1-yl)-4-chloranyl-1-(3-nitrophenyl)pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-4-chloranyl-1-(3-nitrophenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-chloro-1-(3-nitrophenyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-chloro-1-(3-nitrophenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-chloro-1-(3-nitrophenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-chloro-1-(3-nitrophenyl)-3-pyrroline-2,5-quinone Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O4/c17-13-14(18-8-3-1-2-4-9-18)16(22)19(15(13)21)11-6-5-7-12(10-11)20(23)24/h5-7,10H,1-4,8-9H2