7,8-dimethyl-4-[[(3-nitrophenyl)amino]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[(3-nitrophenyl)amino]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[(3-nitroanilino)methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[(3-nitroanilino)methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(3-nitroanilino)methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[(3-nitroanilino)methyl]coumarin Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H16N2O4/c1-11-6-7-16-13(8-17(21)24-18(16)12(11)2)10-19-14-4-3-5-15(9-14)20(22)23/h3-9,19H,10H2,1-2H3