7-methoxy-4-[[(2-methyl-5-nitro-phenyl)amino]methyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[(2-methyl-5-nitro-phenyl)amino]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[(2-methyl-5-nitro-anilino)methyl]chromen-2-one CAS Name: 7-methoxy-4-[(2-methyl-5-nitroanilino)methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(2-methyl-5-nitroanilino)methyl]chromen-2-one Traditional Name: 7-methoxy-4-[(2-methyl-5-nitro-anilino)methyl]coumarin Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C18H16N2O5/c1-11-3-4-13(20(22)23)8-16(11)19-10-12-7-18(21)25-17-9-14(24-2)5-6-15(12)17/h3-9,19H,10H2,1-2H3