2-[2-(aminomethyl)-3-azanyl-propyl]-5-nitro-benzoic acid

Systemtic Name: 2-[2-(aminomethyl)-3-azanyl-propyl]-5-nitro-benzoic acid Openeye Name: 2-[3-amino-2-(aminomethyl)propyl]-5-nitro-benzoic acid CAS Name: 2-[3-amino-2-(aminomethyl)propyl]-5-nitrobenzoic acid IUPAC Name: 2-[3-amino-2-(aminomethyl)propyl]-5-nitrobenzoic acid Traditional Name: 2-[3-amino-2-(aminomethyl)propyl]-5-nitro-benzoic acid Formula: C11H15N3O4 MolecularWeight: 253.2545

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O4/c12-5-7(6-13)3-8-1-2-9(14(17)18)4-10(8)11(15)16/h1-2,4,7H,3,5-6,12-13H2,(H,15,16)