5-nitro-N2,N4-bis[(E)-(phenylmethylidene)amino]pyrimidine-2,4-diamine

Systemtic Name: 5-nitro-N2,N4-bis[(E)-(phenylmethylidene)amino]pyrimidine-2,4-diamine Openeye Name: N2,N4-bis[(E)-benzylideneamino]-5-nitro-pyrimidine-2,4-diamine CAS Name: 5-nitro-N2,N4-bis[(E)-(phenylmethylene)amino]pyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis[(E)-benzylideneamino]-5-nitropyrimidine-2,4-diamine Traditional Name: [(E)-benzalamino]-[2-[(N'E)-N'-benzalhydrazino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H15N7O2 MolecularWeight: 361.3574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=NNC2=NC(=NC=C2[N+](=O)[O-])NN=CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)/C=N/NC2=NC(=NC=C2[N+](=O)[O-])N/N=C/C3=CC=CC=C3

InChI

InChI=1S/C18H15N7O2/c26-25(27)16-13-19-18(24-21-12-15-9-5-2-6-10-15)22-17(16)23-20-11-14-7-3-1-4-8-14/h1-13H,(H2,19,22,23,24)/b20-11+,21-12+