(2-methyl-4,6-dinitro-phenyl) 4-[bis(azanyl)methylideneamino]benzoate; pyridine

Systemtic Name: (2-methyl-4,6-dinitro-phenyl) 4-[bis(azanyl)methylideneamino]benzoate; pyridine Openeye Name: (2-methyl-4,6-dinitro-phenyl) 4-guanidinobenzoate; pyridine CAS Name: 4-(diaminomethylideneamino)benzoic acid (2-methyl-4,6-dinitrophenyl) ester; pyridine IUPAC Name: (2-methyl-4,6-dinitrophenyl) 4-(diaminomethylideneamino)benzoate; pyridine Traditional Name: 4-guanidinobenzoic acid (2-methyl-4,6-dinitro-phenyl) ester; pyridine Formula: C20H18N6O6 MolecularWeight: 438.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)N=C(N)N)[N+](=O)[O-])[N+](=O)[O-].C1=CC=NC=C1

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)N=C(N)N)[N+](=O)[O-])[N+](=O)[O-].C1=CC=NC=C1

InChI

InChI=1S/C15H13N5O6.C5H5N/c1-8-6-11(19(22)23)7-12(20(24)25)13(8)26-14(21)9-2-4-10(5-3-9)18-15(16)17;1-2-4-6-5-3-1/h2-7H,1H3,(H4,16,17,18);1-5H