ethyl 2-azanyl-4-methylsulfanyl-7-nitro-1,5-benzoxazepine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-methylsulfanyl-7-nitro-1,5-benzoxazepine-3-carboxylate Openeye Name: ethyl 2-amino-4-methylsulfanyl-7-nitro-1,5-benzoxazepine-3-carboxylate CAS Name: 2-amino-4-(methylthio)-7-nitro-1,5-benzoxazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-methylsulfanyl-7-nitro-1,5-benzoxazepine-3-carboxylate Traditional Name: 2-amino-4-(methylthio)-7-nitro-1,5-benzoxazepine-3-carboxylic acid ethyl ester Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C=C(C=C2)[N+](=O)[O-])N=C1SC)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C=C(C=C2)[N+](=O)[O-])N=C1SC)N

InChI

InChI=1S/C13H13N3O5S/c1-3-20-13(17)10-11(14)21-9-5-4-7(16(18)19)6-8(9)15-12(10)22-2/h4-6H,3,14H2,1-2H3