4-chloranyl-N-[(E)-[1-nitro-4-(4-nitrophenyl)butylidene]amino]-3-phenoxy-1H-pyrazol-5-amine

Systemtic Name: 4-chloranyl-N-[(E)-[1-nitro-4-(4-nitrophenyl)butylidene]amino]-3-phenoxy-1H-pyrazol-5-amine Openeye Name: 4-chloro-N-[(E)-[1-nitro-4-(4-nitrophenyl)butylidene]amino]-3-phenoxy-1H-pyrazol-5-amine CAS Name: 4-chloro-N-[(E)-[1-nitro-4-(4-nitrophenyl)butylidene]amino]-3-phenoxy-1H-pyrazol-5-amine IUPAC Name: 4-chloro-N-[(E)-[1-nitro-4-(4-nitrophenyl)butylidene]amino]-3-phenoxy-1H-pyrazol-5-amine Traditional Name: (4-chloro-3-phenoxy-1H-pyrazol-5-yl)-[(E)-[1-nitro-4-(4-nitrophenyl)butylidene]amino]amine Formula: C19H17ClN6O5 MolecularWeight: 444.82848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=NNC(=C2Cl)NN=C(CCCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=NNC(=C2Cl)N/N=C(\CCCC3=CC=C(C=C3)[N+](=O)[O-])/[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN6O5/c20-17-18(23-24-19(17)31-15-6-2-1-3-7-15)22-21-16(26(29)30)8-4-5-13-9-11-14(12-10-13)25(27)28/h1-3,6-7,9-12H,4-5,8H2,(H2,22,23,24)/b21-16+