(2R)-N-[(Z)-(5-bromanylthiophen-2-yl)methylideneamino]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: (2R)-N-[(Z)-(5-bromanylthiophen-2-yl)methylideneamino]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: (2R)-N-[(Z)-(5-bromo-2-thienyl)methyleneamino]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: (2R)-N-[(Z)-(5-bromo-2-thiophenyl)methylideneamino]-2-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: (2R)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: (2R)-N-[(Z)-(5-bromo-2-thienyl)methyleneamino]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C12H12BrN5O4S MolecularWeight: 402.22378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN=CC1=CC=C(S1)Br)N2C=C(C(=N2)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N/N=C\C1=CC=C(S1)Br)N2C=C(C(=N2)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H12BrN5O4S/c1-7(17-6-9(18(20)21)12(16-17)22-2)11(19)15-14-5-8-3-4-10(13)23-8/h3-7H,1-2H3,(H,15,19)/b14-5-/t7-/m1/s1