methyl (2S)-4-(4-methyl-3-nitro-phenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2S)-4-(4-methyl-3-nitro-phenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-(4-methyl-3-nitro-phenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-(4-methyl-3-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(4-methyl-3-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-(4-methyl-3-nitro-phenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O7S/c1-11-7-8-12(9-14(11)19(21)22)27(23,24)18-10-16(17(20)25-2)26-15-6-4-3-5-13(15)18/h3-9,16H,10H2,1-2H3/t16-/m0/s1