ethyl 6-chloranyl-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 6-chloro-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 6-chloro-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 6-chloro-4-(2-nitrobenzyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C18H17ClN2O7S MolecularWeight: 440.85478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)Cl)S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)Cl)S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O7S/c1-2-27-18(22)17-10-20(15-9-13(19)7-8-16(15)28-17)29(25,26)11-12-5-3-4-6-14(12)21(23)24/h3-9,17H,2,10-11H2,1H3