[[4-(aminocarbonyldiazenyl)phenyl]amino] 3,5-dinitrobenzoate

Systemtic Name: [[4-(aminocarbonyldiazenyl)phenyl]amino] 3,5-dinitrobenzoate Openeye Name: (4-carbamoylazoanilino) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-carbamoylazoanilino) ester IUPAC Name: [4-(carbamoyldiazenyl)anilino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-carbamoylazoanilino) ester Formula: C14H10N6O7 MolecularWeight: 374.2652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N=NC(=O)N

Isomeric SMILES

C1=CC(=CC=C1NOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N=NC(=O)N

InChI

InChI=1S/C14H10N6O7/c15-14(22)17-16-9-1-3-10(4-2-9)18-27-13(21)8-5-11(19(23)24)7-12(6-8)20(25)26/h1-7,18H,(H2,15,22)