4-(9H-fluoren-9-yl)-7-methoxy-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-(9H-fluoren-9-yl)-7-methoxy-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-(9H-fluoren-9-yl)-7-methoxy-2-methyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-(9H-fluoren-9-yl)-7-methoxy-2-methyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-(9H-fluoren-9-yl)-7-methoxy-2-methyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(9H-fluoren-9-yl)-3-keto-7-methoxy-2-methyl-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(C2=C(O1)C=CC(=C2)OC)C(=O)O)C3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC1C(=O)N(C(C2=C(O1)C=CC(=C2)OC)C(=O)O)C3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C25H21NO5/c1-14-24(27)26(23(25(28)29)20-13-15(30-2)11-12-21(20)31-14)22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22/h3-14,22-23H,1-2H3,(H,28,29)