methyl 3-nitro-5-[(2-propan-2-yl-1,3-benzoxazol-5-yl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(2-propan-2-yl-1,3-benzoxazol-5-yl)carbamoyl]benzoate Openeye Name: methyl 3-[(2-isopropyl-1,3-benzoxazol-5-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(2-propan-2-yl-1,3-benzoxazol-5-yl)carbamoyl]benzoate Traditional Name: 3-[(2-isopropyl-1,3-benzoxazol-5-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H17N3O6/c1-10(2)18-21-15-9-13(4-5-16(15)28-18)20-17(23)11-6-12(19(24)27-3)8-14(7-11)22(25)26/h4-10H,1-3H3,(H,20,23)