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

Systemtic Name: 1-[3-nitro-4-[(2-oxidanylideneazepan-3-yl)amino]phenyl]pyrrolidine-2,5-dione Openeye Name: 1-[3-nitro-4-[(2-oxoazepan-3-yl)amino]phenyl]pyrrolidine-2,5-dione CAS Name: 1-[3-nitro-4-[(2-oxo-3-azepanyl)amino]phenyl]pyrrolidine-2,5-dione IUPAC Name: 1-[3-nitro-4-[(2-oxoazepan-3-yl)amino]phenyl]pyrrolidine-2,5-dione Traditional Name: 1-[4-[(2-ketoazepan-3-yl)amino]-3-nitro-phenyl]pyrrolidine-2,5-quinone Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=C(C=C(C=C2)N3C(=O)CCC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCNC(=O)C(C1)NC2=C(C=C(C=C2)N3C(=O)CCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5/c21-14-6-7-15(22)19(14)10-4-5-11(13(9-10)20(24)25)18-12-3-1-2-8-17-16(12)23/h4-5,9,12,18H,1-3,6-8H2,(H,17,23)