[(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 3-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoate

Systemtic Name: [(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 3-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoate Openeye Name: [(Z)-[amino-(4-nitrophenyl)methylene]amino] 3-(4-bromo-3-methyl-pyrazol-1-yl)propanoate CAS Name: 3-(4-bromo-3-methyl-1-pyrazolyl)propanoic acid [(Z)-[amino-(4-nitrophenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 3-(4-bromo-3-methylpyrazol-1-yl)propanoate Traditional Name: 3-(4-bromo-3-methyl-pyrazol-1-yl)propionic acid [(Z)-[amino-(4-nitrophenyl)methylene]amino] ester Formula: C14H14BrN5O4 MolecularWeight: 396.19606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCC(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CC1=NN(C=C1Br)CCC(=O)O/N=C(/C2=CC=C(C=C2)[N+](=O)[O-])\N

InChI

InChI=1S/C14H14BrN5O4/c1-9-12(15)8-19(17-9)7-6-13(21)24-18-14(16)10-2-4-11(5-3-10)20(22)23/h2-5,8H,6-7H2,1H3,(H2,16,18)