methyl 4-[(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamoyl]benzoate CAS Name: 4-[[(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamoyl]benzoate Traditional Name: 4-[(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamoyl]benzoic acid methyl ester Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC)C(=O)N2

InChI

InChI=1S/C23H18N2O5/c1-13-3-9-20-18(11-13)25-22(27)17-12-16(8-10-19(17)30-20)24-21(26)14-4-6-15(7-5-14)23(28)29-2/h3-12H,1-2H3,(H,24,26)(H,25,27)