3-azaniumyl-N-[7-[(3-azaniumyl-1-oxidanidyl-propylidene)amino]-9,10-bis(oxidanylidene)anthracen-2-yl]propanimidate

Systemtic Name: 3-azaniumyl-N-[7-[(3-azaniumyl-1-oxidanidyl-propylidene)amino]-9,10-bis(oxidanylidene)anthracen-2-yl]propanimidate Openeye Name: 3-azaniumyl-N-[7-[(3-azaniumyl-1-oxido-propylidene)amino]-9,10-dioxo-2-anthryl]propanimidate CAS Name: 3-ammonio-N-[7-[(3-ammonio-1-oxidopropylidene)amino]-9,10-dioxo-2-anthracenyl]propanimidate IUPAC Name: 3-azaniumyl-N-[7-[(3-azaniumyl-1-oxidopropylidene)amino]-9,10-dioxoanthracen-2-yl]propanimidate Traditional Name: 3-ammonio-N-[7-[(3-ammonio-1-oxido-propylidene)amino]-9,10-diketo-2-anthryl]propionimidate Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N=C(CC[NH3+])[O-])C(=O)C3=C(C2=O)C=CC(=C3)N=C(CC[NH3+])[O-]

Isomeric SMILES

C1=CC2=C(C=C1N=C(CC[NH3+])[O-])C(=O)C3=C(C2=O)C=CC(=C3)N=C(CC[NH3+])[O-]

InChI

InChI=1S/C20H20N4O4/c21-7-5-17(25)23-11-1-3-13-15(9-11)20(28)16-10-12(24-18(26)6-8-22)2-4-14(16)19(13)27/h1-4,9-10H,5-8,21-22H2,(H,23,25)(H,24,26)