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

Systemtic Name: 4-chloranyl-N'-[6-[(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 4-chloro-N'-[6-(3-methylanilino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 4-chloro-N'-[6-(3-methylanilino)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: 4-chloro-N'-[6-(3-methylanilino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 4-chloro-N'-[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C18H14ClN7O5 MolecularWeight: 443.80066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN7O5/c1-10-3-2-4-12(7-10)22-16-15(26(30)31)17(21-9-20-16)23-24-18(27)11-5-6-13(19)14(8-11)25(28)29/h2-9H,1H3,(H,24,27)(H2,20,21,22,23)