3-[azanyl(ethyl)carbamoyl]-5-nitro-benzoic acid

Systemtic Name: 3-[azanyl(ethyl)carbamoyl]-5-nitro-benzoic acid Openeye Name: 3-[amino(ethyl)carbamoyl]-5-nitro-benzoic acid CAS Name: 3-[[amino(ethyl)amino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-[amino(ethyl)carbamoyl]-5-nitrobenzoic acid Traditional Name: 3-[amino(ethyl)carbamoyl]-5-nitro-benzoic acid Formula: C10H11N3O5 MolecularWeight: 253.21144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)N

Isomeric SMILES

CCN(C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)N

InChI

InChI=1S/C10H11N3O5/c1-2-12(11)9(14)6-3-7(10(15)16)5-8(4-6)13(17)18/h3-5H,2,11H2,1H3,(H,15,16)