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

Systemtic Name: methyl 4-[(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamoyl]benzoate CAS Name: 4-[[(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamoyl]benzoate Traditional Name: 4-[(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamoyl]benzoic acid methyl ester Formula: C22H15ClN2O5 MolecularWeight: 422.8179

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

InChI

InChI=1S/C22H15ClN2O5/c1-29-22(28)13-4-2-12(3-5-13)20(26)24-15-7-9-18-16(11-15)21(27)25-17-10-14(23)6-8-19(17)30-18/h2-11H,1H3,(H,24,26)(H,25,27)