N'-[6-[(2-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide

Systemtic Name: N'-[6-[(2-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: N'-[6-(2-methylanilino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: N'-[6-(2-methylanilino)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: N'-[6-(2-methylanilino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 3-nitro-N'-[5-nitro-6-(o-toluidino)pyrimidin-4-yl]benzohydrazide Formula: C18H15N7O5 MolecularWeight: 409.3556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N7O5/c1-11-5-2-3-8-14(11)21-16-15(25(29)30)17(20-10-19-16)22-23-18(26)12-6-4-7-13(9-12)24(27)28/h2-10H,1H3,(H,23,26)(H2,19,20,21,22)