1-(7-nitro-4-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrrolidin-2-one

Systemtic Name: 1-(7-nitro-4-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrrolidin-2-one Openeye Name: 1-(4-hydroxy-7-nitro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrrolidin-2-one CAS Name: 1-(4-hydroxy-7-nitro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-pyrrolidinone IUPAC Name: 1-(4-hydroxy-7-nitro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrrolidin-2-one Traditional Name: 1-(4-hydroxy-7-nitro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-pyrrolidone Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2C(CCOC3=C2C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CC(=O)N(C1)C2C(CCOC3=C2C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C14H16N2O5/c17-11-5-7-21-12-4-3-9(16(19)20)8-10(12)14(11)15-6-1-2-13(15)18/h3-4,8,11,14,17H,1-2,5-7H2