(3-butyl-2-oxidanylidene-chromen-4-yl) (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C22H19NO6 MolecularWeight: 393.38936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO6/c1-2-3-9-18-21(17-10-4-5-11-19(17)28-22(18)25)29-20(24)13-12-15-7-6-8-16(14-15)23(26)27/h4-8,10-14H,2-3,9H2,1H3/b13-12+