sodium 2-[7-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)-11-(phenylmethyl)benzo[a]carbazol-6-yl]oxyethanoate

Systemtic Name: sodium 2-[7-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)-11-(phenylmethyl)benzo[a]carbazol-6-yl]oxyethanoate Openeye Name: sodium 2-[11-benzyl-7-(1-carbamoylvinyl)benzo[a]carbazol-6-yl]oxyacetate CAS Name: sodium 2-[[7-(3-amino-3-oxoprop-1-en-2-yl)-11-(phenylmethyl)-6-benzo[a]carbazolyl]oxy]acetate IUPAC Name: sodium 2-[7-(3-amino-3-oxoprop-1-en-2-yl)-11-benzylbenzo[a]carbazol-6-yl]oxyacetate Traditional Name: sodium 2-[11-benzyl-7-(1-carbamoylvinyl)benzo[a]carbazol-6-yl]oxyacetate Formula: C28H21N2NaO4 MolecularWeight: 472.46711

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C2C(=CC=C1)N(C3=C2C(=CC4=CC=CC=C43)OCC(=O)[O-])CC5=CC=CC=C5)C(=O)N.[Na+]

Isomeric SMILES

C=C(C1=C2C(=CC=C1)N(C3=C2C(=CC4=CC=CC=C43)OCC(=O)[O-])CC5=CC=CC=C5)C(=O)N.[Na+]

InChI

InChI=1S/C28H22N2O4.Na/c1-17(28(29)33)20-12-7-13-22-25(20)26-23(34-16-24(31)32)14-19-10-5-6-11-21(19)27(26)30(22)15-18-8-3-2-4-9-18;/h2-14H,1,15-16H2,(H2,29,33)(H,31,32);/q;+1/p-1