3-[[butyl-[(3-nitrophenyl)methyl]amino]methyl]chromen-4-one

Systemtic Name: 3-[[butyl-[(3-nitrophenyl)methyl]amino]methyl]chromen-4-one Openeye Name: 3-[[butyl-[(3-nitrophenyl)methyl]amino]methyl]chromen-4-one CAS Name: 3-[[butyl-[(3-nitrophenyl)methyl]amino]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[butyl-[(3-nitrophenyl)methyl]amino]methyl]chromen-4-one Traditional Name: 3-[[butyl-(3-nitrobenzyl)amino]methyl]chromone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC(=CC=C1)[N+](=O)[O-])CC2=COC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCN(CC1=CC(=CC=C1)[N+](=O)[O-])CC2=COC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O4/c1-2-3-11-22(13-16-7-6-8-18(12-16)23(25)26)14-17-15-27-20-10-5-4-9-19(20)21(17)24/h4-10,12,15H,2-3,11,13-14H2,1H3