4-chloranyl-2-nitro-6-[3-(2-oxidanylideneazepan-1-yl)propyliminomethyl]phenolate

Systemtic Name: 4-chloranyl-2-nitro-6-[3-(2-oxidanylideneazepan-1-yl)propyliminomethyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[3-(2-oxoazepan-1-yl)propyliminomethyl]phenolate CAS Name: 4-chloro-2-nitro-6-[3-(2-oxo-1-azepanyl)propyliminomethyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[3-(2-oxoazepan-1-yl)propyliminomethyl]phenolate Traditional Name: 4-chloro-2-[3-(2-ketoazepan-1-yl)propyliminomethyl]-6-nitro-phenolate Formula: C16H19ClN3O4- MolecularWeight: 352.79276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(=O)N(CC1)CCCN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H20ClN3O4/c17-13-9-12(16(22)14(10-13)20(23)24)11-18-6-4-8-19-7-3-1-2-5-15(19)21/h9-11,22H,1-8H2/p-1