2-[(2,2-dimethylchromen-5-yl)amino]-3-nitro-benzoic acid

Systemtic Name: 2-[(2,2-dimethylchromen-5-yl)amino]-3-nitro-benzoic acid Openeye Name: 2-[(2,2-dimethylchromen-5-yl)amino]-3-nitro-benzoic acid CAS Name: 2-[(2,2-dimethyl-1-benzopyran-5-yl)amino]-3-nitrobenzoic acid IUPAC Name: 2-[(2,2-dimethylchromen-5-yl)amino]-3-nitrobenzoic acid Traditional Name: 2-[(2,2-dimethylchromen-5-yl)amino]-3-nitro-benzoic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2=C(C=CC=C2O1)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1(C=CC2=C(C=CC=C2O1)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C18H16N2O5/c1-18(2)10-9-11-13(6-4-8-15(11)25-18)19-16-12(17(21)22)5-3-7-14(16)20(23)24/h3-10,19H,1-2H3,(H,21,22)