N-[1,3-bis(benzotriazol-1-yl)propan-2-ylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[1,3-bis(benzotriazol-1-yl)propan-2-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[[2-(benzotriazol-1-yl)-1-(benzotriazol-1-ylmethyl)ethylidene]amino]-2,4-dinitro-aniline CAS Name: N-[1,3-bis(1-benzotriazolyl)propan-2-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[1,3-bis(benzotriazol-1-yl)propan-2-ylideneamino]-2,4-dinitroaniline Traditional Name: [[2-(benzotriazol-1-yl)-1-(benzotriazol-1-ylmethyl)ethylidene]amino]-(2,4-dinitrophenyl)amine Formula: C21H16N10O4 MolecularWeight: 472.41634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H16N10O4/c32-30(33)15-9-10-18(21(11-15)31(34)35)23-22-14(12-28-19-7-3-1-5-16(19)24-26-28)13-29-20-8-4-2-6-17(20)25-27-29/h1-11,23H,12-13H2