3-(4-methyl-3-nitro-phenyl)carbonyl-4-phenyl-isochromen-1-one

Systemtic Name: 3-(4-methyl-3-nitro-phenyl)carbonyl-4-phenyl-isochromen-1-one Openeye Name: 3-(4-methyl-3-nitro-benzoyl)-4-phenyl-isochromen-1-one CAS Name: 3-[(4-methyl-3-nitrophenyl)-oxomethyl]-4-phenyl-2-benzopyran-1-one IUPAC Name: 3-(4-methyl-3-nitrobenzoyl)-4-phenylisochromen-1-one Traditional Name: 3-(4-methyl-3-nitro-benzoyl)-4-phenyl-isocoumarin Formula: C23H15NO5 MolecularWeight: 385.3689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H15NO5/c1-14-11-12-16(13-19(14)24(27)28)21(25)22-20(15-7-3-2-4-8-15)17-9-5-6-10-18(17)23(26)29-22/h2-13H,1H3