4-bromanyl-3-methoxy-N'-(3-nitrophenyl)carbonyl-thiophene-2-carbohydrazide hydrate

Systemtic Name: 4-bromanyl-3-methoxy-N'-(3-nitrophenyl)carbonyl-thiophene-2-carbohydrazide hydrate Openeye Name: 4-bromo-3-methoxy-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide hydrate CAS Name: 4-bromo-3-methoxy-N'-[(3-nitrophenyl)-oxomethyl]-2-thiophenecarbohydrazide hydrate IUPAC Name: 4-bromo-3-methoxy-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide hydrate Traditional Name: 4-bromo-3-methoxy-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide hydrate Formula: C26H22Br2N6O11S2 MolecularWeight: 818.42448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1Br)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-].COC1=C(SC=C1Br)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-].O

Isomeric SMILES

COC1=C(SC=C1Br)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-].COC1=C(SC=C1Br)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-].O

InChI

InChI=1S/2C13H10BrN3O5S.H2O/c2*1-22-10-9(14)6-23-11(10)13(19)16-15-12(18)7-3-2-4-8(5-7)17(20)21;/h2*2-6H,1H3,(H,15,18)(H,16,19);1H2