4-(aminomethyl)-2-nitro-benzoic acid

Systemtic Name: 4-(aminomethyl)-2-nitro-benzoic acid Openeye Name: 4-(aminomethyl)-2-nitro-benzoic acid CAS Name: 4-(aminomethyl)-2-nitrobenzoic acid IUPAC Name: 4-(aminomethyl)-2-nitrobenzoic acid Traditional Name: 4-(aminomethyl)-2-nitro-benzoic acid Formula: C8H8N2O4 MolecularWeight: 196.16012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1CN)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C8H8N2O4/c9-4-5-1-2-6(8(11)12)7(3-5)10(13)14/h1-3H,4,9H2,(H,11,12)