3-(azepan-1-ylcarbonyl)-6-nitro-chromen-2-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-6-nitro-chromen-2-one Openeye Name: 3-(azepane-1-carbonyl)-6-nitro-chromen-2-one CAS Name: 3-[1-azepanyl(oxo)methyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-(azepane-1-carbonyl)-6-nitrochromen-2-one Traditional Name: 3-(azepane-1-carbonyl)-6-nitro-coumarin Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C16H16N2O5/c19-15(17-7-3-1-2-4-8-17)13-10-11-9-12(18(21)22)5-6-14(11)23-16(13)20/h5-6,9-10H,1-4,7-8H2