methyl 3-(6-bromanyl-3-methyl-4-oxidanylidene-chromen-2-yl)-5-nitro-benzoate

Systemtic Name: methyl 3-(6-bromanyl-3-methyl-4-oxidanylidene-chromen-2-yl)-5-nitro-benzoate Openeye Name: methyl 3-(6-bromo-3-methyl-4-oxo-chromen-2-yl)-5-nitro-benzoate CAS Name: 3-(6-bromo-3-methyl-4-oxo-1-benzopyran-2-yl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(6-bromo-3-methyl-4-oxochromen-2-yl)-5-nitrobenzoate Traditional Name: 3-(6-bromo-4-keto-3-methyl-chromen-2-yl)-5-nitro-benzoic acid methyl ester Formula: C18H12BrNO6 MolecularWeight: 418.19498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=C(C=C2)Br)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=C(C=C2)Br)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H12BrNO6/c1-9-16(21)14-8-12(19)3-4-15(14)26-17(9)10-5-11(18(22)25-2)7-13(6-10)20(23)24/h3-8H,1-2H3