2-azanyl-3-(4-methylphenyl)carbonyl-4-(4-nitrophenyl)-4,6,7,8-tetrahydrochromen-5-one

Systemtic Name: 2-azanyl-3-(4-methylphenyl)carbonyl-4-(4-nitrophenyl)-4,6,7,8-tetrahydrochromen-5-one Openeye Name: 2-amino-3-(4-methylbenzoyl)-4-(4-nitrophenyl)-4,6,7,8-tetrahydrochromen-5-one CAS Name: 2-amino-3-[(4-methylphenyl)-oxomethyl]-4-(4-nitrophenyl)-4,6,7,8-tetrahydro-1-benzopyran-5-one IUPAC Name: 2-amino-3-(4-methylbenzoyl)-4-(4-nitrophenyl)-4,6,7,8-tetrahydrochromen-5-one Traditional Name: 2-amino-4-(4-nitrophenyl)-3-p-toluoyl-4,6,7,8-tetrahydrochromen-5-one Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(OC3=C(C2C4=CC=C(C=C4)[N+](=O)[O-])C(=O)CCC3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(OC3=C(C2C4=CC=C(C=C4)[N+](=O)[O-])C(=O)CCC3)N

InChI

InChI=1S/C23H20N2O5/c1-13-5-7-15(8-6-13)22(27)21-19(14-9-11-16(12-10-14)25(28)29)20-17(26)3-2-4-18(20)30-23(21)24/h5-12,19H,2-4,24H2,1H3