tert-butyl 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-nitro-benzoate

Systemtic Name: tert-butyl 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-nitro-benzoate Openeye Name: tert-butyl 4-[(5-chloro-2-pyridyl)carbamoyl]-3-nitro-benzoate CAS Name: 4-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-chloropyridin-2-yl)carbamoyl]-3-nitrobenzoate Traditional Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-3-nitro-benzoic acid tert-butyl ester Formula: C17H16ClN3O5 MolecularWeight: 377.77904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)C(=O)NC2=NC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)C(=O)NC2=NC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O5/c1-17(2,3)26-16(23)10-4-6-12(13(8-10)21(24)25)15(22)20-14-7-5-11(18)9-19-14/h4-9H,1-3H3,(H,19,20,22)