2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enyl-phenyl]methylidene]indene-1,3-dione

Systemtic Name: 2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enyl-phenyl]methylidene]indene-1,3-dione Openeye Name: 2-[[3-allyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]indane-1,3-dione CAS Name: 2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]indene-1,3-dione IUPAC Name: 2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]indene-1,3-dione Traditional Name: 2-[3-allyl-5-ethoxy-4-(4-nitrobenzyl)oxy-benzylidene]indane-1,3-quinone Formula: C28H23NO6 MolecularWeight: 469.48532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])CC=C)C=C3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])CC=C)C=C3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H23NO6/c1-3-7-20-14-19(15-24-26(30)22-8-5-6-9-23(22)27(24)31)16-25(34-4-2)28(20)35-17-18-10-12-21(13-11-18)29(32)33/h3,5-6,8-16H,1,4,7,17H2,2H3