N-(4-methoxy-8-nitro-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-6-yl)hydroxylamine

Systemtic Name: N-(4-methoxy-8-nitro-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-6-yl)hydroxylamine Openeye Name: N-(4-methoxy-8-nitro-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-6-yl)hydroxylamine CAS Name: N-(4-methoxy-8-nitro-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-6-yl)hydroxylamine IUPAC Name: N-(4-methoxy-8-nitro-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-6-yl)hydroxylamine Traditional Name: N-(4-methoxy-8-nitro-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-6-yl)hydroxylamine Formula: C12H11N5O4S MolecularWeight: 321.31184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=NC=N1)SC3=C(C=C(C=C3)[N+](=O)[O-])C(N2)NO

Isomeric SMILES

COC1=C2C(=NC=N1)SC3=C(C=C(C=C3)[N+](=O)[O-])C(N2)NO

InChI

InChI=1S/C12H11N5O4S/c1-21-11-9-12(14-5-13-11)22-8-3-2-6(17(19)20)4-7(8)10(15-9)16-18/h2-5,10,15-16,18H,1H3