methyl 3-[[2-(1H-benzimidazol-2-yl)ethanoylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(1H-benzimidazol-2-yl)ethanoylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[[2-(1H-benzimidazol-2-yl)acetyl]amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(1H-benzimidazol-2-yl)-1-oxoethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(1H-benzimidazol-2-yl)acetyl]amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[[2-(1H-benzimidazol-2-yl)acetyl]amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H15N5O6 MolecularWeight: 397.3416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)CC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)CC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O6/c1-29-18(26)11-6-10(7-12(8-11)23(27)28)17(25)22-21-16(24)9-15-19-13-4-2-3-5-14(13)20-15/h2-8H,9H2,1H3,(H,19,20)(H,21,24)(H,22,25)