(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-nitrobenzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-nitrobenzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C18H12ClNO6 MolecularWeight: 373.74398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H12ClNO6/c1-10-5-16-14(8-15(10)19)12(7-17(21)26-16)9-25-18(22)11-3-2-4-13(6-11)20(23)24/h2-8H,9H2,1H3