3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-6-nitro-chromen-2-one

Systemtic Name: 3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-6-nitro-chromen-2-one Openeye Name: 3-(4-methyl-1,4-diazepane-1-carbonyl)-6-nitro-chromen-2-one CAS Name: 3-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-(4-methyl-1,4-diazepane-1-carbonyl)-6-nitrochromen-2-one Traditional Name: 3-(4-methyl-1,4-diazepane-1-carbonyl)-6-nitro-coumarin Formula: C16H17N3O5 MolecularWeight: 331.32328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C16H17N3O5/c1-17-5-2-6-18(8-7-17)15(20)13-10-11-9-12(19(22)23)3-4-14(11)24-16(13)21/h3-4,9-10H,2,5-8H2,1H3