methyl 3-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(3-methylbenzofuran-2-carbonyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(3-methyl-2-benzofuranyl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(3-methylbenzofuran-2-carbonyl)amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H15N3O7/c1-10-14-5-3-4-6-15(14)29-16(10)18(24)21-20-17(23)11-7-12(19(25)28-2)9-13(8-11)22(26)27/h3-9H,1-2H3,(H,20,23)(H,21,24)